Description
Rubiprasin A is a natural triterpenoid compound found in several plants.
Synonyms
(3beta,15alpha)-3-(Acetyloxy)-13,15-dihydroxyoleanan-12-one
IUPAC Name
[(3S,4aR,6aR,6aS,6bR,7S,8aR,12aR,14aR,14bR)-6a,7-dihydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-13-oxo-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
Molecular Formula
C32H52O5
Canonical SMILES
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC(=O)C4(C3(C(CC5(C4CC(CC5)(C)C)C)O)C)O)C)C
InChI
InChI=1S/C32H52O5/c1-19(33)37-25-11-12-29(7)20(27(25,4)5)10-13-30(8)21(29)16-23(34)32(36)22-17-26(2,3)14-15-28(22,6)18-24(35)31(30,32)9/h20-22,24-25,35-36H,10-18H2,1-9H3/t20-,21+,22+,24-,25-,28+,29-,30+,31-,32+/m0/s1
InChIKey
KHSRLAHIQUDPFJ-VWPWYMCRSA-N
Boiling Point
578.2±50.0 °C(Predicted)
Melting Point
>300 °C (chloroform methanol )
pKa
12.42±0.70(Predicted)